(3AS,4R,7R,9R,10R,11R,13R,15R,15aR)-1-(1-((R)-1-(1,8-naphthyridin-4-yl)ethyl)azetidin-3-yl)-10-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyloctahydro-1H-[1]oxacyClotetradeci
(3AS,4R,7R,9R,10R,11R,13R,15R,15aR)-1-(1-((R)-1-(1,8-naphthyridin-4-yl)ethyl)azetidin-3-yl)-10-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyloctahydro-1H-[1]oxacyClotetradeci · CAS 893556-85-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3AS,4R,7R,9R,10R,11R,13R,15R,15aR)-1-(1-((R)-1-(1,8-naphthyridin-4-yl)ethyl)azetidin-3-yl)-10-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyloctahydro-1H-[1]oxacyClotetradeci
- CAS
- 893556-85-9
- CID
- 44596665
- IUPAC 名称
- (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[1-[(1R)-1-(1,8-naphthyridin-4-yl)ethyl]azetidin-3-yl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3AS,4R,7R,9R,10R,11R,13R,15R,15aR)-1-(1-((R)-1-(1,8-naphthyridin-4-yl)ethyl)azetidin-3-yl)-10-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyloctahydro-1H-[1]oxacyClotetradeci
- CAS
- 893556-85-9
- CID
- 44596665
- IUPAC 名称
- (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[1-[(1R)-1-(1,8-naphthyridin-4-yl)ethyl]azetidin-3-yl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
分子属性
- 分子式
- C44H65N5O10
- 分子量
- 824 g/mol
- 精确质量
- 823.47314329 Da
- 单同位素质量
- 823.47314329 Da
- XLogP
- 4.4
- 极性表面积
- 170 Ų
- 氢键供体
- 1
- 氢键受体
- 14
- 可旋转键
- 8
- 重原子数
- 59
- 净电荷
- 0
- 结构复杂度
- 1530
结构标识
- InChIKey
- FATPJRUUPNLGGR-IPOVFCFTSA-N
- SMILES
- CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)C4CN(C4)[C@H](C)C5=C6C=CC=NC6=NC=C5)C
- InChI
- InChI=1S/C44H65N5O10/c1-13-33-44(9)37(49(42(54)59-44)29-21-48(22-29)28(7)30-16-18-46-39-31(30)15-14-17-45-39)25(4)34(50)23(2)20-43(8,55-12)38(26(5)35(51)27(6)40(53)57-33)58-41-36(52)32(47(10)11)19-24(3)56-41/h14-18,23-29,32-33,36-38,41,52H,13,19-22H2,1-12H3/t23-,24-,25+,26+,27-,28-,32+,33-,36-,37-,38-,41+,43-,44-/m1/s1